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Sodium Ion → 5-{3-[2-(Ethoxycarbonyl)-1-trifluoromethyl-vinyl]ureido}-6-fluoro-3-(2-propynyl)-2-benzothiazolinone

HRID 1218975
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인쇄 미리보기

반응식

HRID 1218975 반응식
[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[F:15][c:16]1[cH:17][c:18]2[c:19]([n:20]([CH2:24][C:25]#[CH:26])[c:21](=[O:23])[s:22]2)[cH:27][c:28]1[N:29]=[C:30]=[O:31].[H-:13].[NH2:1][C:2](=[CH:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]([F:10])([F:11])[F:12].[Na+:14].[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[NH:1]([C:2](=[CH:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]([F:10])([F:11])[F:12])[C:30]([NH:29][c:28]1[c:16]([F:15])[cH:17][c:18]2[c:19]([n:20]([CH2:24][C:25]#[CH:26])[c:21](=[O:23])[s:22]2)[cH:27]1)=[O:31]
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참가 물질

7

반응물 6

HCID 923Sodium IonHCID 1140TolueneHCID 6228Dimethylformamide2회HCID 136209Ethyl 3-amino-4,4,4-trifluoro-2-butenoateHCID 166653HydrideHCID 143064826-Fluoro-5-isocyanato-3-propargyl-2-benzothiazolone

생성물 1

HCID 53926413
5-{3-[2-(Ethoxycarbonyl)-1-trifluoromethyl-vinyl]ureido}-6-fluoro-3-(2-propynyl)-2-benzothiazolinone

출처 및 근거

ORD 기록
ord-b12d168b6e524a26a3ca3da1e6fb68c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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